ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate

C12H21NO2 — CID 66037356

IUPACethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate
SMILESC=C(CC)CN1CCCC1C(=O)OCC
InChIInChI=1S/C12H21NO2/c1-4-10(3)9-13-8-6-7-11(13)12(14)15-5-2/h11H,3-9H2,1-2H3
InChIKeyBTRWJZJZNQZPQY-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.98
Rot. Bonds5

About ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate

ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate (PubChem CID 66037356) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate
PubChem CID66037356
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate
SMILESC=C(CC)CN1CCCC1C(=O)OCC
InChIInChI=1S/C12H21NO2/c1-4-10(3)9-13-8-6-7-11(13)12(14)15-5-2/h11H,3-9H2,1-2H3
InChIKeyBTRWJZJZNQZPQY-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 78968925
ethyl 1-[2-(azocan-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62028766
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62011895
ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62028753
ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate
CID 62028361
ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate
CID 115538768
ethyl 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylate
CID 62013054
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
ethyl (2S)-1-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-2-carboxylate
CID 138628046
ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate
CID 115280563
ethyl 1-(3-amino-2-ethoxypropyl)piperidine-2-carboxylate
CID 115538704

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate (CID 66037356) is ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate is C=C(CC)CN1CCCC1C(=O)OCC.
What is the InChIKey of ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate?
The InChIKey is BTRWJZJZNQZPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-10(3)9-13-8-6-7-11(13)12(14)15-5-2/h11H,3-9H2,1-2H3.
What are the key properties of ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate?
ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 66037356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).